7C7H

Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2l

7C7H の概要

• エントリーDOI: 10.2210/pdb7c7h/pdb
• 分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide, ... (4 entities in total)
• 機能のキーワード: cancer, oxidoreductase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 76204.19

構造登録者

Irie, K.,Toyooka, N.,Endo, S. (登録日: 2020-05-25, 公開日: 2020-09-23, 最終更新日: 2023-11-29)

• 主引用文献: Endo, S.,Oguri, H.,Segawa, J.,Kawai, M.,Hu, D.,Xia, S.,Okada, T.,Irie, K.,Fujii, S.,Gouda, H.,Iguchi, K.,Matsukawa, T.,Fujimoto, N.,Nakayama, T.,Toyooka, N.,Matsunaga, T.,Ikari, A.; Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.; J.Med.Chem., 63:10396-10411, 2020; PubMed: 32847363; DOI: 10.1021/acs.jmedchem.0c00939

実験手法

X-RAY DIFFRACTION (1.86 Å)